2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol

C10H19F2NO — CID 153592566

IUPAC2-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)ethanol
SMILESCC(C)N1CCC(C(C1)CCO)(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)13-5-4-10(11,12)9(7-13)3-6-14/h8-9,14H,3-7H2,1-2H3
InChIKeyNBMBFSVDAPPCPX-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.80
Rot. Bonds3

About 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol

2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol (PubChem CID 153592566) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol
PubChem CID153592566
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)ethanol
SMILESCC(C)N1CCC(C(C1)CCO)(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)13-5-4-10(11,12)9(7-13)3-6-14/h8-9,14H,3-7H2,1-2H3
InChIKeyNBMBFSVDAPPCPX-UHFFFAOYSA-N
XLogP1.80
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity185

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Methylpiperidin-3-yl)ethan-1-ol
CID 21702803
3-(1-Methylpiperidin-4-yl)propan-1-ol
CID 15540677
[1-(Butan-2-yl)-4,4-difluoropiperidin-3-yl]methanol
CID 126778899
[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol
CID 164640925
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 60046634
2-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]ethanol
CID 62357831
[1-(3,3,3-Trifluoropropyl)piperidin-4-yl]methanol
CID 64567594
[1-(1-Cyclopropyl-2,2,2-trifluoroethyl)piperidin-4-yl]methanol
CID 66865644
(1-(1,3-Difluoropropan-2-yl)piperidin-4-yl)methanol
CID 67170709
(3R)-3-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]butan-1-ol
CID 89524560
3-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 89524570
2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 89524572

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol (CID 153592566) is 2-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol is CC(C)N1CCC(C(C1)CCO)(F)F.
What is the InChIKey of 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol?
The InChIKey is NBMBFSVDAPPCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)13-5-4-10(11,12)9(7-13)3-6-14/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol?
2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol has a molecular weight of 207.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol is sourced from PubChem (CID 153592566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).